Molecule

ID:63374

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrN₃
Molecular Mass
183.99348
Exact Mass
182.94320908
Charge
0
InChI
InChI=1S/C5H2BrN3/c6-4-2-8-3-9-5(4)1-7/h2-3H
InChIKey
NVDDWOVFQZUEGS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncncc1Br
Isomeric Smiles
c1ncnc(C#N)c1Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0604346
LogD (pH = 7.4)
1.0604346
Log P
1.0604346
Molar Refractivity
35.6947
Polarizability
13.399124
Polar Surface Area
49.57
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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